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| Stem definition | Drug id | CAS RN |
|---|---|---|
| bronchodilators, phenethylamine derivatives | 2273 | 72332-33-3 |
| Dose | Unit | Route |
|---|---|---|
| 60 | mcg | Inhal.aerosol |
| 0.10 | mg | O |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 40 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK2,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK2,JAK3,KDR,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIM2,PLK1,PLK2,PLK3,PLK4,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 53 | |||
| kinase-selectivity-class | AXL,CDK4,CDK9,EIF2AK3,GRK2,MAP2K6,MAP3K14,PLK1,STK33,TEK | 10 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | R03AC16 | RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES ADRENERGICS, INHALANTS Selective beta-2-adrenoreceptor agonists |
| ATC | R03CC08 | RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES ADRENERGICS FOR SYSTEMIC USE Selective beta-2-adrenoreceptor agonists |
| MeSH PA | D000318 | Adrenergic beta-Agonists |
| MeSH PA | D001993 | Bronchodilator Agents |
| MeSH PA | D013566 | Sympathomimetics |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D018927 | Anti-Asthmatic Agents |
| MeSH PA | D019141 | Respiratory System Agents |
| MeSH PA | D058666 | Adrenergic beta-2 Receptor Agonists |
| CHEBI has role | CHEBI:65023 | anti-asthmatic agent |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 10.58 | acidic |
| pKa2 | 11.26 | acidic |
| pKa3 | 9.7 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | GPCR | AGONIST | EC50 | 8.43 | IUPHAR | IUPHAR | |||
| D(2) dopamine receptor | GPCR | Ki | 4.07 | CHEMBL |
| ID | Source |
|---|---|
| N0000166917 | NUI |
| D08424 | KEGG_DRUG |
| C0072032 | UMLSCUI |
| CHEBI:135209 | CHEBI |
| CHEMBL160519 | ChEMBL_ID |
| DB01366 | DRUGBANK_ID |
| D017265 | MESH_DESCRIPTOR_UI |
| 688563 | PUBCHEM_CID |
| 3464 | IUPHAR_LIGAND_ID |
| 4259 | INN_ID |
| X7I3EMM5K0 | UNII |
| 34530 | RXNORM |
| 003878 | NDDF |
| 703566006 | SNOMEDCT_US |
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